UCSF

ZINC34204848

Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2009 10 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.53 -1.71 -44.22 4 3 1 53 158.25 4
Mid Mid (pH 6-8) -0.53 -0.36 -115.79 5 3 2 57 159.258 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )